Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.81 |
| ▸ | CASP1 | P29466 | 1/20 | 0.81 |
| ▸ | CASP7 | P55210 | 1/20 | 0.81 |
| ▸ | CASP9 | P55211 | 1/20 | 0.81 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30555459 | 1.00 | CASP3 (0.81) | CASP3CASP1CASP7CASP9CA12 | |
| SCHEMBL2486952 | 0.90 | CASP3 (1.00) | CASP3CASP1CASP7CASP9CA12 | |
| SCHEMBL31395806 | 0.90 | CASP3 (1.00) | CASP3CASP1CASP7CASP9CA12 | |
| Trifluoroacetic Acid SCHEMBL29058818 | 0.89 | CASP3 (0.65) | CASP3CASP1CASP7CASP9EGFR | |
| Trifluoroacetic Acid SCHEMBL30555217 | 0.89 | CASP3 (0.65) | CASP3CASP1CASP7CASP9EGFR | |
| SCHEMBL6535562 | 0.88 | CASP3 (1.00) | CASP3CASP1CASP7CASP9CA12 | |
| SCHEMBL31175908 | 0.88 | CASP3 (1.00) | CASP3CASP1CASP7CASP9CA12 | |
| SCHEMBL6535690 | 0.88 | CASP3 (1.00) | CASP3CASP1CASP7CASP9CA12 | |
| SCHEMBL5988598 | 0.84 | CASP3 (0.79) | CASP3CASP1CASP7CASP9CA12 | |
| SCHEMBL6535504 | 0.84 | CASP3 (0.79) | CASP3CASP1CASP7CASP9EGFR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116655518-A | Isatin derivative and preparation method and application thereof | 东南大学 | 2023-08-29 | — | — | CN | disclosed |